Metadata-Version: 2.1
Name: Adsorber
Version: 1.1
Summary: This program is designed to adsorb molecules to the surface of a cluster in all various ways..
Home-page: https://blogs.otago.ac.nz/annagarden/
Author: Geoffrey R. Weal and Dr. Anna L. Garden
Author-email: anna.garden@otago.ac.nz
License: GNU AFFERO GENERAL PUBLIC LICENSE
Download-URL: https://github.com/GardenGroupUO/Adsorber/archive/v1.1.tar.gz
Description: # The Adsorber Program
        
        [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/Adsorber)](https://docs.python.org/3/)
        [![GitHub release (latest by date)](https://img.shields.io/github/v/release/GardenGroupUO/Adsorber)](https://github.com/GardenGroupUO/Adsorber)
        [![PyPI](https://img.shields.io/pypi/v/Adsorber)](https://pypi.org/project/Adsorber/)
        [![Conda](https://img.shields.io/conda/v/gardengroupuo/adsorber)](https://anaconda.org/GardenGroupUO/adsorber)
        [![Documentation](https://img.shields.io/badge/Docs-click%20here-brightgreen)](https://adsorber.readthedocs.io/en/latest/)
        [![Licence](https://img.shields.io/github/license/GardenGroupUO/Adsorber)](https://www.gnu.org/licenses/agpl-3.0.en.html)
        [![LGTM Grade](https://img.shields.io/lgtm/grade/python/github/GardenGroupUO/Adsorber)](https://lgtm.com/projects/g/GardenGroupUO/Adsorber/context:python)
        
        CURRENTLY UNDER RECONSTRUCTION: SOME FEATURES MAY NOT CURRENTLY BE WORKING
        
        Authors: Geoffrey R. Weal and Dr. Anna L. Garden (University of Otago, Dunedin, New Zealand)
        
        Group page: https://blogs.otago.ac.nz/annagarden/
        
        ## What is Adsorber
        
        Adsorber is designed to adsorb molecules in various way to a cluster or surface. 
        
        ## Installation
        
        It is recommended to read the installation page before using the Adsorber program. 
        
        [adsorber.readthedocs.io/en/latest/Installation.html](https://adsorber.readthedocs.io/en/latest/Installation.html)
        
        Note that you can install Adsorber through ``pip3`` and ``conda``. 
        
        ## Output files that are created by Adsorber
        
        Adsorber will adsorb atoms and molecules on various binding sites across your cluster or surface model. An example of an COOH molecules adsorbed to a vertex site on a Cu<sub>78</sub> cluster is shown below
        
        <p align="center">
        	<img src="https://github.com/GardenGroupUO/Adsorber/blob/main/Documentation/source/Images/COOH_site_1_rotation_0.png">
        </p>
        
        ## Where can I find the documentation for Adsorber
        
        All the information about this program is found online at [adsorber.readthedocs.io/en/latest/](https://adsorber.readthedocs.io/en/latest/). Click the button below to also see the documentation: 
        
        [![Documentation](https://img.shields.io/badge/Docs-click%20here-brightgreen)](https://adsorber.readthedocs.io/en/latest/)
        
        ## About
        
        <div align="center">
        
        | Python | [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/Adsorber)](https://docs.python.org/3/) | 
        |:----------------------:|:-------------------------------------------------------------:|
        | Repositories | [![GitHub release (latest by date)](https://img.shields.io/github/v/release/GardenGroupUO/Adsorber)](https://github.com/GardenGroupUO/Adsorber) [![PyPI](https://img.shields.io/pypi/v/Adsorber)](https://pypi.org/project/Adsorber/) [![Conda](https://img.shields.io/conda/v/gardengroupuo/adsorber)](https://anaconda.org/GardenGroupUO/adsorber) |
        | Documentation | [![Documentation](https://img.shields.io/badge/Docs-click%20here-brightgreen)](https://adsorber.readthedocs.io/en/latest/) | 
        | Tests | [![LGTM Grade](https://img.shields.io/lgtm/grade/python/github/GardenGroupUO/Adsorber)](https://lgtm.com/projects/g/GardenGroupUO/Adsorber/context:python)
        | License | [![Licence](https://img.shields.io/github/license/GardenGroupUO/Adsorber)](https://www.gnu.org/licenses/agpl-3.0.en.html) |
        | Authors | Geoffrey R. Weal, Dr. Anna L. Garden |
        | Group Website | https://blogs.otago.ac.nz/annagarden/ |
        
        </div>
        
Keywords: Adsorber,ase,university-of-otago,atomic-simulation-environment,otago-university
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: Unix
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Mathematics
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Natural Language :: English
Classifier: License :: OSI Approved :: GNU Affero General Public License v3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Description-Content-Type: text/markdown
